Keywords
Hydrogen bondIntramolecular forceCrystallographyChemistryOrthorhombic crystal systemIntermolecular forceGlycosidic bondAmideStereochemistryAntiparallel (mathematics)Side chainCrystal structureMoleculePhysicsOrganic chemistry
MeSH Terms
AnimalsChitinHydrogen BondingModelsStructuralMolecular ConformationNephropidaeX-Ray Diffraction
Affiliated Institutions
Related Publications
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ<sub>1</sub> and χ<sub>2</sub> Dihedral Angles
While the quality of the current CHARMM22/CMAP additive force field for proteins has been demonstrated in a large number of applications, limitations in the model with respect t...
Simulations of Nanocylinders Self-Assembled from Cyclic β-Tripeptides
This paper examines the self-assembly of cyclic β-tripeptides using density functional theory. On the basis of literature precedents, these cyclic peptides were expected to self...
On the conformational varieties of acetylcholine in the crystals of its halides
Different conformations of acetylcholine are observed in the crystals of its chloride (trans-gauche, tg) and bromide (gauche-gauche, gg). Quantum-mechanical computations predict...
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
Molecular mechanics is powerful for its speed in atomistic simulations, but an accurate force field is required. The Amber ff99SB force field improved protein secondary structur...
Simulations of a Protein Crystal with a High Resolution X-ray Structure: Evaluation of Force Fields and Water Models
We use classical molecular dynamics and 16 combinations of force fields and water models to simulate a protein crystal observed by room-temperature X-ray diffraction. The high r...
Publication Info
- Year
- 1978
- Type
- article
- Volume
- 120
- Issue
- 2
- Pages
- 167-181
- Citations
- 620
- Access
- Closed
External Links
Social Impact
Altmetric
PlumX Metrics
Social media, news, blog, policy document mentions
Citation Metrics
620
OpenAlex
7
Influential
573
CrossRef
Cite This
Ram Minke,
John Blackwell
(1978).
The structure of α-chitin.
Journal of Molecular Biology
, 120
(2)
, 167-181.
https://doi.org/10.1016/0022-2836(78)90063-3
Identifiers
- DOI
- 10.1016/0022-2836(78)90063-3
- PMID
- 642008